Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002440
PROPERTIES
| NPAID | NPA002440 |
|---|---|
| CLUSTER ID | 1450 |
| NODE ID | 511 |
| NAME | Emericolin A |
| FORMULA | C25H38O2 |
| MOLECULAR WEIGHT (Da) | 370.5770 |
| ACCURATE MASS (Da) | 370.2872 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | aurantiobrunnea |
| InChIKey | FUDYGCNPEYKGHX-BJZYOKJQSA-N |
| InChI | InChI=1S/C25H38O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-23,27H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,21+,22-,23-,24-,25+/m0/s1 |
| SMILES | C[C@H]1C[C@H]([C@@H]/2[C@H]1C[C@]3(CC[C@@]4(CC[C@@H]([C@H]4[C@@H]3C/C=C2/C=O)C(=C)C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yoganathan; Rossant, Christine; Glover, Robert P.; Cao, Shugeng; Vittal, Jagadese J.; Ng, Siewbee; Huang, Yicun; Buss, Antony D.; Butler, Mark S. Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea Journal of Natural Products 2004 67 (10) 1681-1684. | ||
|---|---|---|---|
| DOI | 10.1021/np049844c | PMID | 15497939 |
